(11E,14E)-tricyclo[8.5.1.03,8]hexadeca-1,3,5,7,9,11,14-heptaene-12,14-dicarbaldehyde

C18H14O2 — CID 5388190

IUPAC(11E,14E)-tricyclo[8.5.1.03,8]hexadeca-1,3,5,7,9,11,14-heptaene-12,14-dicarbaldehyde
SMILESO=C/C1=C/C2=Cc3ccccc3C=C(/C=C(/C=O)C1)C2
InChIInChI=1S/C18H14O2/c19-11-15-6-13-5-14(7-16(8-15)12-20)10-18-4-2-1-3-17(18)9-13/h1-4,6-7,9-12H,5,8H2/b15-6+,16-7+
InChIKeyFRXJPZZVAFPIRI-MBGCCUORSA-N
MW262.31 g/mol
LogP3.51
Rot. Bonds2

About (11E,14E)-tricyclo[8.5.1.03,8]hexadeca-1,3,5,7,9,11,14-heptaene-12,14-dicarbaldehyde

(11E,14E)-tricyclo[8.5.1.03,8]hexadeca-1,3,5,7,9,11,14-heptaene-12,14-dicarbaldehyde (PubChem CID 5388190) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (11E,14E)-tricyclo[8.5.1.03,8]hexadeca-1,3,5,7,9,11,14-heptaene-12,14-dicarbaldehyde.

Molecular Properties

Compound Name(11E,14E)-tricyclo[8.5.1.03,8]hexadeca-1,3,5,7,9,11,14-heptaene-12,14-dicarbaldehyde
PubChem CID5388190
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name(11E,14E)-tricyclo[8.5.1.03,8]hexadeca-1,3,5,7,9,11,14-heptaene-12,14-dicarbaldehyde
SMILESO=C/C1=C/C2=Cc3ccccc3C=C(/C=C(/C=O)C1)C2
InChIInChI=1S/C18H14O2/c19-11-15-6-13-5-14(7-16(8-15)12-20)10-18-4-2-1-3-17(18)9-13/h1-4,6-7,9-12H,5,8H2/b15-6+,16-7+
InChIKeyFRXJPZZVAFPIRI-MBGCCUORSA-N
XLogP3.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (11E,14E)-tricyclo[8.5.1.03,8]hexadeca-1,3,5,7,9,11,14-heptaene-12,14-dicarbaldehyde?
The IUPAC name of (11E,14E)-tricyclo[8.5.1.03,8]hexadeca-1,3,5,7,9,11,14-heptaene-12,14-dicarbaldehyde (CID 5388190) is (11E,14E)-tricyclo[8.5.1.03,8]hexadeca-1,3,5,7,9,11,14-heptaene-12,14-dicarbaldehyde.
What is the SMILES notation for (11E,14E)-tricyclo[8.5.1.03,8]hexadeca-1,3,5,7,9,11,14-heptaene-12,14-dicarbaldehyde?
The canonical SMILES for (11E,14E)-tricyclo[8.5.1.03,8]hexadeca-1,3,5,7,9,11,14-heptaene-12,14-dicarbaldehyde is O=C/C1=C/C2=Cc3ccccc3C=C(/C=C(/C=O)C1)C2.
What is the InChIKey of (11E,14E)-tricyclo[8.5.1.03,8]hexadeca-1,3,5,7,9,11,14-heptaene-12,14-dicarbaldehyde?
The InChIKey is FRXJPZZVAFPIRI-MBGCCUORSA-N. The full InChI is InChI=1S/C18H14O2/c19-11-15-6-13-5-14(7-16(8-15)12-20)10-18-4-2-1-3-17(18)9-13/h1-4,6-7,9-12H,5,8H2/b15-6+,16-7+.
What are the key properties of (11E,14E)-tricyclo[8.5.1.03,8]hexadeca-1,3,5,7,9,11,14-heptaene-12,14-dicarbaldehyde?
(11E,14E)-tricyclo[8.5.1.03,8]hexadeca-1,3,5,7,9,11,14-heptaene-12,14-dicarbaldehyde has a molecular weight of 262.31 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11E,14E)-tricyclo[8.5.1.03,8]hexadeca-1,3,5,7,9,11,14-heptaene-12,14-dicarbaldehyde is sourced from PubChem (CID 5388190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).